Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
HSEh1PBE/6-31G(2df,p)
18 | |||||||||||||||||||||||||
16 | |||||||||||||||||||||||||
14 | |||||||||||||||||||||||||
12 | |||||||||||||||||||||||||
10 | |||||||||||||||||||||||||
8 | |||||||||||||||||||||||||
6 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.481 | 0.075 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO2F2 | Sulfuryl fluoride | 1.409 |
Highest value | HSO4- | bisulfate anion | 1.663 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.487 | 1 | 2 |
SO+ | sulfur monoxide cation | 1.421 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.437 | 1 | 2 |
SOH+ | Sulfur Monoxide, protonated | 1.535 | 1 | 2 |
HOSH | hydrogen thioperoxide | 1.661 | 1 | 2 |
SO2 | Sulfur dioxide | 1.436 | 1 | 2 |
1.436 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.457 | 1 | 2 |
NSO | sulfinyl amidogen | 1.456 | 1 | 3 |
ClSO | Sulfur chloride oxide | 1.466 | 2 | 3 |
SO2H+ | protonated sulfur dioxide | 1.528 | 1 | 2 |
1.412 | 1 | 3 | ||
SO3 | Sulfur trioxide | 1.425 | 1 | 2 |
1.425 | 1 | 3 | ||
1.425 | 1 | 4 | ||
F2SO | Thionyl Fluoride | 1.424 | 1 | 2 |
HSO3 | Hydroxysulfonyl radical | 1.605 | 1 | 2 |
1.446 | 1 | 3 | ||
1.561 | 1 | 4 | ||
H2SO3 | Sulfurous acid | 1.455 | 1 | 2 |
1.622 | 1 | 3 | ||
1.622 | 1 | 4 | ||
CH3SOCH3 | Dimethyl sulfoxide | 1.484 | 1 | 2 |
SO2F2 | Sulfuryl fluoride | 1.409 | 1 | 2 |
1.409 | 1 | 3 | ||
HSO4- | bisulfate anion | 1.663 | 1 | 2 |
1.447 | 1 | 3 | ||
1.454 | 1 | 4 | ||
1.454 | 1 | 5 | ||
CH3SO2NH2 | methanesulfonamide | 1.437 | 2 | 4 |
1.437 | 2 | 5 | ||
C2H6O2S | Dimethyl sulfone | 1.441 | 1 | 2 |
1.441 | 1 | 3 | ||
MgSO4 | Magnesium Sulfate | 1.593 | 2 | 3 |
1.593 | 2 | 4 | ||
1.432 | 2 | 5 | ||
1.432 | 2 | 6 | ||
SOF4 | Sulfur tetrafluoride oxide | 1.415 | 1 | 2 |